REMARK  Name = BDB047463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.598  -3.264   1.521  0.00  0.00    -0.077 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.206  -1.855   0.751  0.00  0.00    +0.190 A 
ATOM      3  N   LIG    1        1.513  -1.844  -0.571  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1        1.442  -2.625  -1.202  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1        1.902  -0.559  -0.864  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1        1.834   0.148   0.255  0.00  0.00    -0.129 NA
ATOM      7  N   LIG    1        1.403  -0.671   1.271  0.00  0.00    -0.122 NA
BRANCH   5   8
ATOM      8  C   LIG    1        2.315  -0.075  -2.182  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.772   1.246  -2.314  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.176   1.748  -3.554  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.130   0.935  -4.682  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        2.678  -0.378  -4.571  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.273  -0.881  -3.330  0.00  0.00    +0.011 A 
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -0.034  -2.555   3.073  0.00  0.00    +0.173 C 
BRANCH  14  16
ATOM     15  O   LIG    1       -2.421  -2.403   2.999  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -1.349  -1.825   2.837  0.00  0.00    +0.227 C 
ATOM     17  N   LIG    1       -1.181  -0.510   2.436  0.00  0.00    -0.285 N 
ATOM     18  H   LIG    1       -0.226  -0.221   2.217  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.178   0.441   2.147  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1       -1.751   1.665   1.613  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -2.673   2.666   1.299  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.031   2.454   1.520  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.464   1.241   2.053  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.541   0.238   2.366  0.00  0.00    +0.023 A 
ENDBRANCH  17  19
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 5